ID: 112771
SMILES:C(C)(C)=CCc1c(O)cc(CCCCC)c(C(CC(C)C)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.677
InChIKey:OLOXXFRDFUWPME-UHFFFAOYSA-N
ID: 112772
SMILES:O=C1C(C)=CC(c2cc(CCCCC)cc(O)c2)C1C(C)(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.254
InChIKey:UVIAQOGCLJHJIF-UHFFFAOYSA-N
ID: 112773
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)c(C(O)=O)c(O)c1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -16.875
InChIKey:OYDJQRAVPFBYFU-UHFFFAOYSA-N
ID: 112774
SMILES:C(CCC1(C)Oc2c(c(O)cc(C)c2)CC1)C(C(C)C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -14.551
InChIKey:DSADNNRYQCRCDD-UHFFFAOYSA-N
ID: 112775
SMILES:C1(OC2(C)CCC3C(C)(C)Oc4c(c(O)cc(CCC)c4)C32)C(OC(=O)C)C(OC(C)=O)C(OC(C)=O)CO1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.629
CB1 binding score: -14.739
InChIKey:CVAPGGGFZJAVLJ-UHFFFAOYSA-N
ID: 112776
SMILES:CC1(C)Oc2c(c(O)cc(O)c2C(=O)C(C)C)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -18.957
InChIKey:VIYAGNJWEOQORJ-UHFFFAOYSA-N
ID: 112777
SMILES:CC12CCCC(=C)C1C(c1c(O)cc(CCC)cc1O)CC(C)=CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -15.358
InChIKey:ZSFSXZGIFKNDDC-UHFFFAOYSA-N
ID: 112778
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2(C)CCC1)C(N)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 289.419
CB1 binding score: -11.54
InChIKey:BOVGRNRYQLCMLB-UHFFFAOYSA-N
ID: 112779
SMILES:C(C1Oc2cc(O)c3c(c2C1)OC(C)(C)C1C3CC(C)=CC1)c1c(O)ccc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.494
CB1 binding score: -14.269
InChIKey:CCFLSSBMUIKTBW-UHFFFAOYSA-N
ID: 112780
SMILES:C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 112781
SMILES:c12cc(O)ccc1OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.07
InChIKey:LIEZPCZOEMYUIR-UHFFFAOYSA-N
ID: 112782
SMILES:O=[N+](O)c1cc(C)c(O)c(C2C(C(C)=C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.367
CB1 binding score: -16.391
InChIKey:XNAAGEUAVVVULD-UHFFFAOYSA-O
ID: 112783
SMILES:c1c(CCCCC)cc2c(c1O)CC1C(C)(O2)OC=C1C=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -12.497
InChIKey:AXMUZFVEWWDLOW-UHFFFAOYSA-N
ID: 112784
SMILES:C(CCC=C(C)CO)(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.663
InChIKey:JNGJGHFJBFPWRL-UHFFFAOYSA-N
ID: 112785
SMILES:O1C2C(CC1=O)C(Oc1cc(CCCCCC)cc(O)c1C1C=C(C)CCC1C(CO)=C)C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.589
CB1 binding score: -12.491
InChIKey:NKULJQSBQLQHMR-UHFFFAOYSA-N
ID: 112786
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(CC1=O)CCc1c2c(C)co1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -16.019
InChIKey:PPUSQTNWMWJJIT-UHFFFAOYSA-N
ID: 112787
SMILES:C1C2C(C(CC(C)C)c3c1ccc(C)c3C(O)CC(=C)C)-c1cc(O)ccc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -14.44
InChIKey:NKTAMHWDGOWPBP-UHFFFAOYSA-N
ID: 112788
SMILES:COc1cc(CCCCC)cc2c1C1C(C(=C)C)(CC=C(C)C1CC=C(C)C)OC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -13.076
InChIKey:VEIQXOMBTJJOEP-UHFFFAOYSA-N
ID: 112789
SMILES:C12C(C)(OO)CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.022
InChIKey:FTRVUVASJWIYDY-UHFFFAOYSA-N
ID: 112790
SMILES:C12(C)CCC(C)=CC1c1c(cc(CC=CC)cc1O)OC(C)(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -11.161
InChIKey:PYOOCFCGLQAOOV-UHFFFAOYSA-N
ID: 112791
SMILES:C(CCC)CCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)(CCC=C(C)C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -14.166
InChIKey:BTFRWFWOKFWJKC-UHFFFAOYSA-N